SCHEMBL12812460

SCHEMBL12812460

O=C(Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1)c1cccc(NS)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 5/20 0.47
EPAS1 Q99814 5/20 0.47
ABCB1 P08183 2/20 0.45
CYP3A4 P08684 2/20 0.45
SMO Q99835 1/20 0.43
ABL1 P00519 1/20 0.42
PDGFRB P09619 1/20 0.42
BCR P11274 1/20 0.42
SRC P12931 1/20 0.42
PDGFRA P16234 1/20 0.42
SYK P43405 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR2C P28335 1/20 0.41
MCHR1 Q99705 1/20 0.41
CXCR4 P61073 1/20 0.41
POLB P06746 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10179606 0.91 SMN1; SMN2 (0.59) MAPTSMN1; SMN2MAPK1HIF1AEPAS1
SCHEMBL1442483 0.91 MAPT (0.58) MAPTSMN1; SMN2MAPK1HIF1AEPAS1
SCHEMBL27865686 0.90 MAPT (0.47) MAPTSMN1; SMN2MAPK1HIF1AEPAS1
SCHEMBL10178972 0.90 SMN1; SMN2 (0.50) MAPTSMN1; SMN2MAPK1HIF1AEPAS1
SCHEMBL13276210 0.90 MAPT (0.47) MAPTSMN1; SMN2MAPK1HIF1AEPAS1
SCHEMBL10179384 0.89 HIF1A (0.55) MAPTSMN1; SMN2MAPK1HIF1AEPAS1
SCHEMBL10180943 0.88 MAPT (0.53) MAPTSMN1; SMN2MAPK1HIF1AEPAS1
SCHEMBL10179300 0.88 SLC2A1 (0.53) MAPTSMN1; SMN2MAPK1HIF1AEPAS1
SCHEMBL13276228 0.88 HIF1A (0.57) MAPTSMN1; SMN2MAPK1HIF1AEPAS1
SCHEMBL13276413 0.87 MAPT (0.47) MAPTSMN1; SMN2MAPK1HIF1AEPAS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 WO disclosed